N'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide

C13H25N3O — CID 77054606

IUPACN'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide
SMILESCC1CCC(N2CCCCC2C(N)=NO)CC1
InChIInChI=1S/C13H25N3O/c1-10-5-7-11(8-6-10)16-9-3-2-4-12(16)13(14)15-17/h10-12,17H,2-9H2,1H3,(H2,14,15)
InChIKeyWGGXWDBYPLBVCU-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.17
Rot. Bonds2

About N'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide

N'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide (PubChem CID 77054606) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide
PubChem CID77054606
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide
SMILESCC1CCC(N2CCCCC2C(N)=NO)CC1
InChIInChI=1S/C13H25N3O/c1-10-5-7-11(8-6-10)16-9-3-2-4-12(16)13(14)15-17/h10-12,17H,2-9H2,1H3,(H2,14,15)
InChIKeyWGGXWDBYPLBVCU-UHFFFAOYSA-N
XLogP2.17
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide (CID 77054606) is N'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide is CC1CCC(N2CCCCC2C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide?
The InChIKey is WGGXWDBYPLBVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-5-7-11(8-6-10)16-9-3-2-4-12(16)13(14)15-17/h10-12,17H,2-9H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide?
N'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide has a molecular weight of 239.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4-methylcyclohexyl)piperidine-2-carboximidamide is sourced from PubChem (CID 77054606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).